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Information card for entry 4033892
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Coordinates | 4033892.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H32 O2 Si |
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Calculated formula | C21 H32 O2 Si |
SMILES | [Si](C(C)(C)C)(C1=Cc2c(cc(C(=O)OC)cc2)[C@@H]1CCCC)(C)C |
Title of publication | Brønsted Acid Catalyzed 1,2-Silyl Shift in Propargyl Silanes: Synthesis of Silyl Dienes and Silyl Indenes. |
Authors of publication | Puriņš, Mikus; Mishnev, Anatoly; Turks, Ma Ris |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 6 |
Pages of publication | 3595 - 3611 |
a | 10.7686 ± 0.0003 Å |
b | 6.6244 ± 0.0002 Å |
c | 15.1218 ± 0.0005 Å |
α | 90° |
β | 110.361 ± 0.002° |
γ | 90° |
Cell volume | 1011.32 ± 0.05 Å3 |
Cell temperature | 190 ± 2 K |
Ambient diffraction temperature | 190 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0684 |
Residual factor for significantly intense reflections | 0.0472 |
Weighted residual factors for significantly intense reflections | 0.084 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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